SCHEMBL30828591

SCHEMBL30828591

COc1cc(Nc2ccncc2)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.52
BRAF P15056 1/20 0.49
ALDH1A1 P00352 5/20 0.47
CYP3A4 P08684 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CHEK1 O14757 2/20 0.45
PDPK1 O15530 1/20 0.45
MAP4K4 O95819 1/20 0.45
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
CDK1 P06493 1/20 0.45
RPS6KB1 P23443 1/20 0.45
CDK2 P24941 1/20 0.45
SYK P43405 1/20 0.45
TYRO3 Q06418 1/20 0.45
MAP4K2 Q12851 1/20 0.45
ROCK1 Q13464 1/20 0.45
PKN2 Q16513 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7369051 0.84 KMT2A (0.54) RAD52BRAFALDH1A1CHEK1PDPK1
SCHEMBL30236 0.84 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL29763986 0.84 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL3796082 0.83 ALDH1A1 (0.61) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL29837453 0.83 ALDH1A1 (0.50) BRAFALDH1A1CYP3A4TDP1TSHR
SCHEMBL1639956 0.83 ALDH1A1 (0.50) BRAFALDH1A1CYP3A4TDP1TSHR
SCHEMBL23999510 0.78 RAD52 (0.63) RAD52ALDH1A1CYP3A4TDP1TSHR
SCHEMBL23999865 0.77 ALDH1A1 (0.66) RAD52ALDH1A1CYP3A4TDP1TSHR
SCHEMBL6155111 0.77 MKNK1 (0.51) BRAFALDH1A1SYKMKNK2KMT2A
SCHEMBL6157998 0.76 IMPDH2 (0.51) BRAFALDH1A1CHEK1PDPK1MAP4K4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS SAINT LOUIS UNIVERSITY (US) 2024-04-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS ABCC1, ARG1, SLC11A2 RAD52 3181/4885BRAF 2853/4885ALDH1A1 2841/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.